4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide

C12H13ClN4O — CID 43088035

IUPAC4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide
SMILESCn1c(Cl)cnc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13ClN4O/c1-17-10(13)6-16-11(17)7-15-9-4-2-8(3-5-9)12(14)18/h2-6,15H,7H2,1H3,(H2,14,18)
InChIKeyNMDXIFMPNYTRGI-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.78
Rot. Bonds4

About 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide

4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide (PubChem CID 43088035) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide
PubChem CID43088035
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide
SMILESCn1c(Cl)cnc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13ClN4O/c1-17-10(13)6-16-11(17)7-15-9-4-2-8(3-5-9)12(14)18/h2-6,15H,7H2,1H3,(H2,14,18)
InChIKeyNMDXIFMPNYTRGI-UHFFFAOYSA-N
XLogP1.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzoate
CID 78823596
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline
CID 113355959
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
3-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methylaniline
CID 55200591
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-nitroaniline
CID 78840623
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
4-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66397859
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide
CID 78825596
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide?
The IUPAC name of 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide (CID 43088035) is 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide is Cn1c(Cl)cnc1CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide?
The InChIKey is NMDXIFMPNYTRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17-10(13)6-16-11(17)7-15-9-4-2-8(3-5-9)12(14)18/h2-6,15H,7H2,1H3,(H2,14,18).
What are the key properties of 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide?
4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide has a molecular weight of 264.72 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 43088035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).